5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide

C17H16ClN5O — CID 133449160

IUPAC5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCn1cc(CNc2ncc(C(N)=O)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN5O/c1-23-10-13(15(22-23)11-5-3-2-4-6-11)9-21-17-14(18)7-12(8-20-17)16(19)24/h2-8,10H,9H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUXGYQEVGCSBJQC-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide

5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 133449160) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID133449160
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCn1cc(CNc2ncc(C(N)=O)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H16ClN5O/c1-23-10-13(15(22-23)11-5-3-2-4-6-11)9-21-17-14(18)7-12(8-20-17)16(19)24/h2-8,10H,9H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUXGYQEVGCSBJQC-UHFFFAOYSA-N
XLogP2.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
3-chloro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449211
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
CID 133277831
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
3-bromo-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449094
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide (CID 133449160) is 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide is Cn1cc(CNc2ncc(C(N)=O)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is UXGYQEVGCSBJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-23-10-13(15(22-23)11-5-3-2-4-6-11)9-21-17-14(18)7-12(8-20-17)16(19)24/h2-8,10H,9H2,1H3,(H2,19,24)(H,20,21).
What are the key properties of 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133449160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).